[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC(=CC=C2)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC(=CC=C2)OC

InChI

InChI=1S/C22H27NO5/c1-3-4-5-13-27-19-11-9-18(10-12-19)22(25)28-16-21(24)23-15-17-7-6-8-20(14-17)26-2/h6-12,14H,3-5,13,15-16H2,1-2H3,(H,23,24)